N-[6-[2-(2-fluoroethoxy)ethoxy]-2-pyridinyl]-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine

C20H20FN5O2 — CID 118262774

IUPACN-[6-[2-(2-fluoroethoxy)ethoxy]-2-pyridinyl]-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine
SMILESCn1c2ccncc2c2ccc(Nc3cccc(OCCOCCF)n3)nc21
InChIInChI=1S/C20H20FN5O2/c1-26-16-7-9-22-13-15(16)14-5-6-18(25-20(14)26)23-17-3-2-4-19(24-17)28-12-11-27-10-8-21/h2-7,9,13H,8,10-12H2,1H3,(H,23,24,25)
InChIKeyCKSRVDWZNKFMQC-UHFFFAOYSA-N
MW381.41 g/mol
LogP3.62
Rot. Bonds8

About N-[6-[2-(2-fluoroethoxy)ethoxy]-2-pyridinyl]-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine

N-[6-[2-(2-fluoroethoxy)ethoxy]-2-pyridinyl]-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine (PubChem CID 118262774) has the molecular formula C20H20FN5O2 and a molecular weight of 381.41 g/mol. Its IUPAC name is N-[6-[2-(2-fluoroethoxy)ethoxy]-2-pyridinyl]-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine.

Molecular Properties

Compound NameN-[6-[2-(2-fluoroethoxy)ethoxy]-2-pyridinyl]-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine
PubChem CID118262774
Molecular FormulaC20H20FN5O2
Molecular Weight381.41 g/mol
Exact Mass381.16
IUPAC NameN-[6-[2-(2-fluoroethoxy)ethoxy]-2-pyridinyl]-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine
SMILESCn1c2ccncc2c2ccc(Nc3cccc(OCCOCCF)n3)nc21
InChIInChI=1S/C20H20FN5O2/c1-26-16-7-9-22-13-15(16)14-5-6-18(25-20(14)26)23-17-3-2-4-19(24-17)28-12-11-27-10-8-21/h2-7,9,13H,8,10-12H2,1H3,(H,23,24,25)
InChIKeyCKSRVDWZNKFMQC-UHFFFAOYSA-N
XLogP3.62
TPSA74.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.41
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[6-[2-(2-fluoroethoxy)ethoxy]-2-pyridinyl]-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[6-[2-(2-fluoroethoxy)ethoxy]-2-pyridinyl]-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine?
The IUPAC name of N-[6-[2-(2-fluoroethoxy)ethoxy]-2-pyridinyl]-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine (CID 118262774) is N-[6-[2-(2-fluoroethoxy)ethoxy]-2-pyridinyl]-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine.
What is the SMILES notation for N-[6-[2-(2-fluoroethoxy)ethoxy]-2-pyridinyl]-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine?
The canonical SMILES for N-[6-[2-(2-fluoroethoxy)ethoxy]-2-pyridinyl]-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine is Cn1c2ccncc2c2ccc(Nc3cccc(OCCOCCF)n3)nc21.
What is the InChIKey of N-[6-[2-(2-fluoroethoxy)ethoxy]-2-pyridinyl]-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine?
The InChIKey is CKSRVDWZNKFMQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN5O2/c1-26-16-7-9-22-13-15(16)14-5-6-18(25-20(14)26)23-17-3-2-4-19(24-17)28-12-11-27-10-8-21/h2-7,9,13H,8,10-12H2,1H3,(H,23,24,25).
What are the key properties of N-[6-[2-(2-fluoroethoxy)ethoxy]-2-pyridinyl]-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine?
N-[6-[2-(2-fluoroethoxy)ethoxy]-2-pyridinyl]-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine has a molecular weight of 381.41 g/mol, XLogP of 3.62, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[2-(2-fluoroethoxy)ethoxy]-2-pyridinyl]-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine is sourced from PubChem (CID 118262774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).